NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374845 |
1eph   |
1729 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eph
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 355
_Distance_constraint_stats_list.Viol_count 486
_Distance_constraint_stats_list.Viol_total 709.192
_Distance_constraint_stats_list.Viol_max 0.670
_Distance_constraint_stats_list.Viol_rms 0.0656
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0200
_Distance_constraint_stats_list.Viol_average_violations_only 0.1459
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.045 0.028 3 0 "[ . 1]"
1 2 SER 1.031 0.261 9 0 "[ . 1]"
1 3 TYR 0.438 0.419 3 0 "[ . 1]"
1 4 PRO 0.000 0.000 . 0 "[ . 1]"
1 5 GLY 0.379 0.154 8 0 "[ . 1]"
1 6 CYS 0.000 0.000 . 0 "[ . 1]"
1 7 PRO 0.060 0.035 7 0 "[ . 1]"
1 8 SER 0.025 0.025 3 0 "[ . 1]"
1 9 SER 0.060 0.035 7 0 "[ . 1]"
1 10 TYR 2.085 0.230 2 0 "[ . 1]"
1 11 ASP 0.490 0.133 5 0 "[ . 1]"
1 12 GLY 0.346 0.133 5 0 "[ . 1]"
1 13 TYR 0.889 0.202 3 0 "[ . 1]"
1 14 CYS 0.045 0.045 3 0 "[ . 1]"
1 15 LEU 6.481 0.422 9 0 "[ . 1]"
1 16 ASN 0.730 0.149 10 0 "[ . 1]"
1 17 GLY 0.189 0.064 3 0 "[ . 1]"
1 18 GLY 0.067 0.039 2 0 "[ . 1]"
1 19 VAL 3.260 0.244 7 0 "[ . 1]"
1 20 CYS 0.572 0.124 6 0 "[ . 1]"
1 21 MET 2.168 0.206 5 0 "[ . 1]"
1 22 HIS 1.663 0.185 3 0 "[ . 1]"
1 23 ILE 3.503 0.256 5 0 "[ . 1]"
1 24 GLU 1.678 0.234 4 0 "[ . 1]"
1 25 SER 0.757 0.161 1 0 "[ . 1]"
1 26 LEU 2.179 0.237 3 0 "[ . 1]"
1 27 ASP 0.753 0.185 3 0 "[ . 1]"
1 28 SER 1.897 0.206 1 0 "[ . 1]"
1 29 TYR 0.303 0.081 2 0 "[ . 1]"
1 30 THR 4.523 0.310 9 0 "[ . 1]"
1 31 CYS 2.502 0.310 9 0 "[ . 1]"
1 32 ASN 0.485 0.114 5 0 "[ . 1]"
1 33 CYS 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 4.788 0.217 9 0 "[ . 1]"
1 35 ILE 4.461 0.335 2 0 "[ . 1]"
1 36 GLY 1.513 0.335 2 0 "[ . 1]"
1 37 TYR 6.954 0.236 2 0 "[ . 1]"
1 38 SER 0.652 0.146 9 0 "[ . 1]"
1 39 GLY 0.031 0.031 4 0 "[ . 1]"
1 40 ASP 0.268 0.223 9 0 "[ . 1]"
1 41 ARG 2.362 0.326 5 0 "[ . 1]"
1 42 CYS 1.595 0.154 8 0 "[ . 1]"
1 43 GLN 4.357 0.422 9 0 "[ . 1]"
1 44 THR 2.657 0.249 7 0 "[ . 1]"
1 45 ARG 0.480 0.095 9 0 "[ . 1]"
1 46 ASP 0.870 0.184 1 0 "[ . 1]"
1 47 LEU 0.725 0.473 6 0 "[ . 1]"
1 48 ARG 8.600 0.475 3 0 "[ . 1]"
1 49 TRP 15.508 0.670 10 4 "[ ** - +]"
1 50 TRP 10.852 0.670 10 4 "[ ** - +]"
1 51 GLU 3.058 0.396 10 0 "[ . 1]"
1 52 LEU 0.993 0.315 9 0 "[ . 1]"
1 53 ARG 0.707 0.211 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 2 SER H 2.600 . 3.500 2.851 2.129 3.512 0.012 1 0 "[ . 1]" 1
2 1 1 ASN QB 1 2 SER H 2.900 . 4.000 2.665 1.772 3.378 0.028 3 0 "[ . 1]" 1
3 1 2 SER H 1 2 SER HA 2.100 . 2.500 2.500 2.332 2.761 0.261 9 0 "[ . 1]" 1
4 1 2 SER H 1 2 SER QB 2.900 . 4.000 3.051 2.918 3.493 . 0 0 "[ . 1]" 1
5 1 2 SER HA 1 3 TYR H 2.600 . 3.500 3.205 2.204 3.516 0.016 8 0 "[ . 1]" 1
6 1 2 SER HA 1 23 ILE HA 2.900 . 4.000 3.493 2.904 4.014 0.014 3 0 "[ . 1]" 1
7 1 2 SER QB 1 3 TYR H 2.900 . 4.000 3.163 2.074 3.640 . 0 0 "[ . 1]" 1
8 1 3 TYR H 1 3 TYR HA 2.100 . 2.500 2.399 2.330 2.919 0.419 3 0 "[ . 1]" 1
9 1 3 TYR H 1 3 TYR QB 2.600 . 3.500 2.864 2.309 3.055 . 0 0 "[ . 1]" 1
10 1 3 TYR H 1 3 TYR QD 2.900 . 4.000 3.550 3.217 3.662 . 0 0 "[ . 1]" 1
11 1 3 TYR H 1 4 PRO QD 2.900 . 4.000 3.247 3.015 3.677 . 0 0 "[ . 1]" 1
12 1 3 TYR HA 1 4 PRO QD 2.400 . 3.000 2.034 2.019 2.061 . 0 0 "[ . 1]" 1
13 1 3 TYR QB 1 4 PRO QD 2.900 . 4.500 3.651 3.622 3.692 . 0 0 "[ . 1]" 1
14 1 3 TYR QB 1 22 HIS HE1 2.900 . 4.000 3.521 3.305 3.600 . 0 0 "[ . 1]" 1
15 1 3 TYR QD 1 4 PRO QD 2.900 . 4.000 3.128 2.772 3.238 . 0 0 "[ . 1]" 1
16 1 4 PRO HA 1 5 GLY H 2.400 . 3.000 2.232 2.146 2.600 . 0 0 "[ . 1]" 1
17 1 4 PRO QB 1 5 GLY H 2.900 . 4.000 3.365 2.299 3.670 . 0 0 "[ . 1]" 1
18 1 5 GLY H 1 5 GLY QA 2.400 . 3.000 2.379 2.256 2.469 . 0 0 "[ . 1]" 1
19 1 5 GLY H 1 21 MET HA 2.900 . 4.000 3.954 3.578 4.154 0.154 8 0 "[ . 1]" 1
20 1 5 GLY QA 1 6 CYS H 2.600 . 3.500 2.228 2.112 2.302 . 0 0 "[ . 1]" 1
21 1 6 CYS H 1 6 CYS HA 2.400 . 3.000 2.899 2.879 2.941 . 0 0 "[ . 1]" 1
22 1 6 CYS H 1 6 CYS QB 2.600 . 3.500 3.179 2.937 3.273 . 0 0 "[ . 1]" 1
23 1 6 CYS H 1 7 PRO QD 2.900 . 4.500 4.215 4.180 4.264 . 0 0 "[ . 1]" 1
24 1 6 CYS HA 1 7 PRO QD 2.600 . 3.500 2.056 2.025 2.094 . 0 0 "[ . 1]" 1
25 1 6 CYS HA 1 29 TYR QD 2.900 . 4.000 3.531 3.361 3.661 . 0 0 "[ . 1]" 1
26 1 6 CYS HA 1 29 TYR QE 2.900 . 4.000 3.250 2.838 3.602 . 0 0 "[ . 1]" 1
27 1 6 CYS QB 1 7 PRO QD 2.900 . 4.000 2.158 2.109 2.207 . 0 0 "[ . 1]" 1
28 1 6 CYS QB 1 10 TYR QB 2.900 . 4.000 2.979 2.208 3.232 . 0 0 "[ . 1]" 1
29 1 6 CYS QB 1 10 TYR QD 2.900 . 4.000 2.418 2.282 2.667 . 0 0 "[ . 1]" 1
30 1 6 CYS QB 1 10 TYR QE 2.900 . 4.000 3.283 3.211 3.411 . 0 0 "[ . 1]" 1
31 1 6 CYS QB 1 20 CYS QB 2.900 . 4.000 3.130 2.750 3.303 . 0 0 "[ . 1]" 1
32 1 6 CYS SG 1 20 CYS SG 2.020 . 2.120 2.018 2.015 2.023 . 0 0 "[ . 1]" 1
33 1 7 PRO HA 1 8 SER H 2.100 . 2.500 2.242 2.175 2.417 . 0 0 "[ . 1]" 1
34 1 7 PRO HA 1 9 SER H 2.900 . 4.000 3.779 3.584 4.035 0.035 7 0 "[ . 1]" 1
35 1 7 PRO QB 1 8 SER H 2.900 . 4.000 3.362 2.932 3.640 . 0 0 "[ . 1]" 1
36 1 7 PRO QB 1 9 SER H 2.900 . 4.000 2.752 2.443 3.008 . 0 0 "[ . 1]" 1
37 1 7 PRO QB 1 10 TYR QD 2.900 . 4.000 2.638 2.524 2.819 . 0 0 "[ . 1]" 1
38 1 7 PRO QB 1 10 TYR QE 2.900 . 4.000 3.284 3.205 3.329 . 0 0 "[ . 1]" 1
39 1 7 PRO QD 1 10 TYR QD 2.900 . 4.000 2.950 2.715 3.223 . 0 0 "[ . 1]" 1
40 1 7 PRO QD 1 10 TYR QE 2.900 . 4.000 2.989 2.835 3.223 . 0 0 "[ . 1]" 1
41 1 7 PRO QD 1 22 HIS HE1 2.900 . 4.000 3.735 3.664 3.808 . 0 0 "[ . 1]" 1
42 1 7 PRO QD 1 29 TYR QD 2.900 . 4.000 2.699 2.458 3.040 . 0 0 "[ . 1]" 1
43 1 7 PRO QD 1 29 TYR QE 2.900 . 4.000 2.136 2.066 2.238 . 0 0 "[ . 1]" 1
44 1 7 PRO QG 1 10 TYR QD 2.900 . 4.000 3.125 3.016 3.209 . 0 0 "[ . 1]" 1
45 1 7 PRO QG 1 10 TYR QE 2.900 . 4.000 2.357 2.275 2.540 . 0 0 "[ . 1]" 1
46 1 7 PRO QG 1 29 TYR QD 2.900 . 4.000 3.346 3.240 3.433 . 0 0 "[ . 1]" 1
47 1 8 SER H 1 8 SER QB 2.400 . 3.000 2.600 2.430 2.729 . 0 0 "[ . 1]" 1
48 1 8 SER H 1 9 SER H 2.600 . 3.500 2.861 2.640 2.990 . 0 0 "[ . 1]" 1
49 1 8 SER HA 1 9 SER H 2.900 . 4.000 3.475 3.459 3.490 . 0 0 "[ . 1]" 1
50 1 8 SER HA 1 11 ASP H 2.900 . 4.000 3.343 2.903 4.025 0.025 3 0 "[ . 1]" 1
51 1 8 SER QB 1 9 SER H 2.900 . 4.000 3.143 2.761 3.587 . 0 0 "[ . 1]" 1
52 1 8 SER QB 1 11 ASP QB 2.900 . 4.000 3.302 3.252 3.339 . 0 0 "[ . 1]" 1
53 1 9 SER H 1 9 SER HA 2.400 . 3.000 2.794 2.780 2.815 . 0 0 "[ . 1]" 1
54 1 9 SER H 1 9 SER QB 2.400 . 3.000 2.344 2.141 2.687 . 0 0 "[ . 1]" 1
55 1 10 TYR H 1 10 TYR HA 2.100 . 2.700 2.908 2.887 2.930 0.230 2 0 "[ . 1]" 1
56 1 10 TYR H 1 10 TYR QB 2.600 . 3.500 2.166 2.095 2.281 . 0 0 "[ . 1]" 1
57 1 10 TYR H 1 10 TYR QD 2.900 . 4.000 2.845 2.167 3.147 . 0 0 "[ . 1]" 1
58 1 10 TYR H 1 11 ASP H 2.900 . 4.000 2.794 2.634 2.969 . 0 0 "[ . 1]" 1
59 1 10 TYR HA 1 11 ASP H 2.900 . 4.000 3.382 2.894 3.530 . 0 0 "[ . 1]" 1
60 1 10 TYR QB 1 11 ASP H 2.900 . 4.000 2.263 1.799 3.688 0.001 6 0 "[ . 1]" 1
61 1 10 TYR QD 1 13 TYR QB 2.900 . 4.000 2.224 2.156 2.291 . 0 0 "[ . 1]" 1
62 1 10 TYR QD 1 13 TYR QD 2.600 . 3.500 2.286 2.154 2.494 . 0 0 "[ . 1]" 1
63 1 10 TYR QE 1 13 TYR QB 2.900 . 4.000 3.331 3.284 3.378 . 0 0 "[ . 1]" 1
64 1 10 TYR QE 1 13 TYR QD 2.900 . 4.000 2.665 2.269 3.181 . 0 0 "[ . 1]" 1
65 1 10 TYR QE 1 13 TYR QE 2.900 . 4.000 3.211 2.980 3.329 . 0 0 "[ . 1]" 1
66 1 10 TYR QE 1 29 TYR QB 2.900 . 4.000 2.807 2.595 2.954 . 0 0 "[ . 1]" 1
67 1 10 TYR QE 1 29 TYR QD 2.900 . 4.000 2.944 2.683 3.212 . 0 0 "[ . 1]" 1
68 1 11 ASP H 1 11 ASP HA 2.400 . 3.000 2.463 2.348 2.871 . 0 0 "[ . 1]" 1
69 1 11 ASP H 1 11 ASP QB 2.100 . 2.500 2.456 2.236 2.554 0.054 9 0 "[ . 1]" 1
70 1 11 ASP H 1 12 GLY H 2.900 . 4.000 3.042 2.823 3.227 . 0 0 "[ . 1]" 1
71 1 11 ASP HA 1 12 GLY H 2.400 . 3.000 2.986 2.827 3.133 0.133 5 0 "[ . 1]" 1
72 1 11 ASP QB 1 12 GLY H 2.900 . 4.000 3.705 3.569 3.807 . 0 0 "[ . 1]" 1
73 1 12 GLY H 1 12 GLY QA 2.400 . 3.000 2.521 2.458 2.542 . 0 0 "[ . 1]" 1
74 1 12 GLY H 1 13 TYR H 2.900 . 4.000 2.103 1.768 3.107 0.032 6 0 "[ . 1]" 1
75 1 12 GLY QA 1 13 TYR H 2.900 . 4.000 2.784 2.256 2.999 . 0 0 "[ . 1]" 1
76 1 13 TYR H 1 13 TYR HA 2.400 . 3.000 2.908 2.671 3.000 0.000 7 0 "[ . 1]" 1
77 1 13 TYR H 1 13 TYR QB 2.400 . 3.000 2.276 2.101 2.718 . 0 0 "[ . 1]" 1
78 1 13 TYR H 1 13 TYR QD 2.900 . 4.000 3.598 3.070 3.766 . 0 0 "[ . 1]" 1
79 1 13 TYR H 1 14 CYS H 2.900 . 4.000 2.664 1.755 3.963 0.045 3 0 "[ . 1]" 1
80 1 13 TYR HA 1 41 ARG HE 2.900 . 4.000 3.927 2.744 4.202 0.202 3 0 "[ . 1]" 1
81 1 13 TYR HA 1 41 ARG QH 2.900 . 4.000 2.828 2.033 3.256 . 0 0 "[ . 1]" 1
82 1 13 TYR QB 1 14 CYS H 2.900 . 4.000 3.057 1.994 3.835 . 0 0 "[ . 1]" 1
83 1 13 TYR QD 1 14 CYS H 2.900 . 4.000 3.255 1.959 3.765 . 0 0 "[ . 1]" 1
84 1 13 TYR QD 1 41 ARG QD 2.900 . 4.000 2.236 1.982 2.665 . 0 0 "[ . 1]" 1
85 1 13 TYR QD 1 41 ARG QG 2.900 . 4.000 3.363 3.239 3.452 . 0 0 "[ . 1]" 1
86 1 13 TYR QE 1 30 THR HA 2.900 . 4.000 3.517 2.924 3.852 . 0 0 "[ . 1]" 1
87 1 13 TYR QE 1 41 ARG QB 2.900 . 4.000 3.120 2.434 3.335 . 0 0 "[ . 1]" 1
88 1 13 TYR QE 1 41 ARG QD 2.900 . 4.000 3.014 2.423 3.308 . 0 0 "[ . 1]" 1
89 1 13 TYR QE 1 41 ARG QG 2.900 . 4.000 2.863 2.235 3.239 . 0 0 "[ . 1]" 1
90 1 14 CYS H 1 14 CYS QB 2.900 . 4.000 2.210 1.994 2.997 . 0 0 "[ . 1]" 1
91 1 14 CYS HA 1 15 LEU H 2.400 . 3.000 2.114 1.997 2.189 . 0 0 "[ . 1]" 1
92 1 14 CYS HA 1 41 ARG QD 2.600 . 3.500 2.981 2.280 3.308 . 0 0 "[ . 1]" 1
93 1 14 CYS QB 1 15 LEU H 2.900 . 4.000 3.475 3.145 3.694 . 0 0 "[ . 1]" 1
94 1 14 CYS QB 1 18 GLY H 2.900 . 4.000 3.446 2.870 3.669 . 0 0 "[ . 1]" 1
95 1 14 CYS QB 1 18 GLY QA 2.900 . 4.000 2.825 2.421 3.201 . 0 0 "[ . 1]" 1
96 1 14 CYS QB 1 20 CYS QB 2.900 . 4.000 3.152 2.915 3.278 . 0 0 "[ . 1]" 1
97 1 14 CYS SG 1 31 CYS SG 2.020 . 2.120 2.023 2.018 2.026 . 0 0 "[ . 1]" 1
98 1 15 LEU H 1 15 LEU HA 2.400 . 3.000 2.941 2.922 2.964 . 0 0 "[ . 1]" 1
99 1 15 LEU H 1 15 LEU QB 2.900 . 4.000 2.046 1.931 2.133 . 0 0 "[ . 1]" 1
100 1 15 LEU H 1 15 LEU QD 2.600 . 4.000 2.600 2.315 2.904 . 0 0 "[ . 1]" 1
101 1 15 LEU H 1 15 LEU HG 2.900 . 4.000 4.239 3.973 4.346 0.346 10 0 "[ . 1]" 1
102 1 15 LEU H 1 42 CYS QB 2.900 . 4.000 2.875 2.467 3.272 . 0 0 "[ . 1]" 1
103 1 15 LEU HA 1 16 ASN H 2.400 . 3.000 2.293 2.065 2.702 . 0 0 "[ . 1]" 1
104 1 15 LEU HA 1 43 GLN HA 2.900 . 4.500 4.770 4.612 4.922 0.422 9 0 "[ . 1]" 1
105 1 15 LEU QB 1 16 ASN H 2.600 . 3.500 2.607 1.978 3.166 . 0 0 "[ . 1]" 1
106 1 15 LEU QB 1 16 ASN QD 2.900 . 4.000 2.684 2.087 3.068 . 0 0 "[ . 1]" 1
107 1 15 LEU QB 1 42 CYS QB 2.900 . 4.000 2.464 2.131 3.163 . 0 0 "[ . 1]" 1
108 1 15 LEU QB 1 43 GLN HA 2.900 . 4.000 2.283 2.116 2.437 . 0 0 "[ . 1]" 1
109 1 15 LEU QD 1 16 ASN H 2.900 . 4.500 2.730 1.790 3.523 0.010 8 0 "[ . 1]" 1
110 1 15 LEU QD 1 16 ASN QD 2.900 . 4.500 2.972 2.471 3.227 . 0 0 "[ . 1]" 1
111 1 15 LEU QD 1 41 ARG QB 2.900 . 4.500 2.882 2.300 3.068 . 0 0 "[ . 1]" 1
112 1 15 LEU QD 1 41 ARG HE 2.900 . 4.500 2.414 1.474 3.549 0.326 5 0 "[ . 1]" 1
113 1 15 LEU QD 1 41 ARG QG 2.900 . 4.500 3.049 3.000 3.141 . 0 0 "[ . 1]" 1
114 1 15 LEU QD 1 41 ARG QH 2.900 . 4.500 2.143 1.673 2.722 0.127 3 0 "[ . 1]" 1
115 1 15 LEU QD 1 43 GLN HA 2.400 . 3.500 2.369 2.042 2.673 . 0 0 "[ . 1]" 1
116 1 15 LEU QD 1 43 GLN QB 2.900 . 4.500 2.374 1.906 2.935 . 0 0 "[ . 1]" 1
117 1 15 LEU HG 1 16 ASN QD 2.900 . 4.000 3.670 3.333 3.786 . 0 0 "[ . 1]" 1
118 1 15 LEU HG 1 43 GLN HA 2.900 . 4.000 2.895 2.280 4.177 0.177 9 0 "[ . 1]" 1
119 1 16 ASN H 1 16 ASN HA 2.100 . 2.500 2.408 2.365 2.471 . 0 0 "[ . 1]" 1
120 1 16 ASN H 1 16 ASN QB 2.900 . 4.000 3.179 3.053 3.383 . 0 0 "[ . 1]" 1
121 1 16 ASN H 1 17 GLY H 2.900 . 4.000 3.762 2.711 4.064 0.064 3 0 "[ . 1]" 1
122 1 16 ASN HA 1 37 TYR QD 2.900 . 4.500 4.225 4.096 4.296 . 0 0 "[ . 1]" 1
123 1 16 ASN HA 1 37 TYR QE 2.900 . 4.000 3.729 3.632 3.908 . 0 0 "[ . 1]" 1
124 1 16 ASN QB 1 37 TYR QD 2.900 . 4.000 2.057 1.941 2.479 . 0 0 "[ . 1]" 1
125 1 16 ASN QB 1 37 TYR QE 2.900 . 4.000 2.361 2.189 2.896 . 0 0 "[ . 1]" 1
126 1 16 ASN QD 1 37 TYR QD 2.900 . 4.000 3.271 3.202 3.398 . 0 0 "[ . 1]" 1
127 1 16 ASN QD 1 43 GLN HA 2.600 . 3.500 1.747 1.651 1.861 0.149 10 0 "[ . 1]" 1
128 1 16 ASN QD 1 43 GLN QB 2.900 . 4.000 3.238 3.119 3.406 . 0 0 "[ . 1]" 1
129 1 17 GLY H 1 17 GLY QA 2.400 . 3.000 2.232 2.222 2.244 . 0 0 "[ . 1]" 1
130 1 17 GLY H 1 18 GLY H 2.600 . 3.500 3.063 2.671 3.539 0.039 2 0 "[ . 1]" 1
131 1 17 GLY QA 1 18 GLY H 2.900 . 4.000 2.674 2.318 2.872 . 0 0 "[ . 1]" 1
132 1 18 GLY H 1 18 GLY QA 2.400 . 3.000 2.315 2.238 2.459 . 0 0 "[ . 1]" 1
133 1 18 GLY QA 1 19 VAL H 2.600 . 3.500 2.167 2.126 2.234 . 0 0 "[ . 1]" 1
134 1 18 GLY QA 1 33 CYS HA 2.900 . 4.000 2.603 2.294 3.178 . 0 0 "[ . 1]" 1
135 1 19 VAL H 1 19 VAL HA 2.100 . 2.700 2.900 2.853 2.944 0.244 7 0 "[ . 1]" 1
136 1 19 VAL H 1 19 VAL HB 2.600 . 3.500 2.827 2.631 3.208 . 0 0 "[ . 1]" 1
137 1 19 VAL H 1 19 VAL QG 2.600 . 4.000 1.925 1.718 2.362 0.082 10 0 "[ . 1]" 1
138 1 19 VAL H 1 32 ASN H 2.900 . 4.000 3.373 2.582 3.882 . 0 0 "[ . 1]" 1
139 1 19 VAL H 1 32 ASN O 1.800 . 2.300 2.252 1.962 2.414 0.114 5 0 "[ . 1]" 1
140 1 19 VAL HA 1 20 CYS H 2.100 . 2.500 2.148 2.097 2.239 . 0 0 "[ . 1]" 1
141 1 19 VAL HB 1 20 CYS H 2.900 . 4.000 3.974 3.390 4.124 0.124 6 0 "[ . 1]" 1
142 1 19 VAL HB 1 32 ASN QB 2.900 . 4.000 2.611 2.280 2.896 . 0 0 "[ . 1]" 1
143 1 19 VAL QG 1 20 CYS H 2.600 . 4.000 2.673 2.194 2.958 . 0 0 "[ . 1]" 1
144 1 19 VAL N 1 32 ASN O 2.800 2.300 3.300 3.089 2.676 3.326 0.026 9 0 "[ . 1]" 1
145 1 19 VAL O 1 32 ASN H 1.800 . 2.300 1.968 1.728 2.308 0.008 1 0 "[ . 1]" 1
146 1 19 VAL O 1 32 ASN N 2.800 2.300 3.300 2.763 2.682 2.998 . 0 0 "[ . 1]" 1
147 1 20 CYS H 1 20 CYS QB 2.600 . 3.500 2.307 2.077 2.661 . 0 0 "[ . 1]" 1
148 1 20 CYS HA 1 21 MET H 2.400 . 3.000 2.167 2.112 2.301 . 0 0 "[ . 1]" 1
149 1 20 CYS HA 1 31 CYS HA 2.400 . 3.000 2.349 2.193 2.684 . 0 0 "[ . 1]" 1
150 1 21 MET H 1 21 MET QB 2.900 . 4.000 2.456 2.094 3.016 . 0 0 "[ . 1]" 1
151 1 21 MET H 1 21 MET QG 2.900 . 4.000 2.802 1.813 3.622 . 0 0 "[ . 1]" 1
152 1 21 MET H 1 30 THR H 2.900 . 4.000 3.516 3.201 3.800 . 0 0 "[ . 1]" 1
153 1 21 MET H 1 30 THR O 1.800 . 2.300 2.101 1.767 2.410 0.110 2 0 "[ . 1]" 1
154 1 21 MET H 1 31 CYS HA 2.900 . 4.000 2.713 1.787 3.742 0.013 2 0 "[ . 1]" 1
155 1 21 MET HA 1 22 HIS H 2.400 . 3.000 2.296 2.229 2.350 . 0 0 "[ . 1]" 1
156 1 21 MET QB 1 22 HIS H 2.900 . 4.000 2.587 2.360 2.827 . 0 0 "[ . 1]" 1
157 1 21 MET ME 1 22 HIS H 2.900 . 4.500 3.348 2.455 3.808 . 0 0 "[ . 1]" 1
158 1 21 MET QG 1 22 HIS H 2.900 . 4.000 3.649 3.552 3.729 . 0 0 "[ . 1]" 1
159 1 21 MET QG 1 30 THR MG 2.900 . 4.500 2.991 1.985 3.401 . 0 0 "[ . 1]" 1
160 1 21 MET QG 1 32 ASN QB 2.900 . 4.500 3.049 2.124 3.622 . 0 0 "[ . 1]" 1
161 1 21 MET N 1 30 THR O 2.800 2.300 3.300 2.959 2.547 3.196 . 0 0 "[ . 1]" 1
162 1 21 MET O 1 30 THR H 1.800 . 2.300 2.406 2.352 2.506 0.206 5 0 "[ . 1]" 1
163 1 21 MET O 1 30 THR N 2.800 2.300 3.300 3.361 3.319 3.453 0.153 5 0 "[ . 1]" 1
164 1 22 HIS H 1 22 HIS HA 2.400 . 3.000 2.972 2.949 2.991 . 0 0 "[ . 1]" 1
165 1 22 HIS H 1 22 HIS QB 2.900 . 4.000 2.649 2.510 2.752 . 0 0 "[ . 1]" 1
166 1 22 HIS HA 1 23 ILE H 2.600 . 3.500 2.227 2.165 2.311 . 0 0 "[ . 1]" 1
167 1 22 HIS HA 1 29 TYR HA 2.900 . 4.000 2.824 2.535 3.162 . 0 0 "[ . 1]" 1
168 1 22 HIS HA 1 29 TYR QD 2.600 . 3.500 2.867 2.587 3.031 . 0 0 "[ . 1]" 1
169 1 22 HIS HA 1 29 TYR QE 2.900 . 4.000 3.762 3.711 3.806 . 0 0 "[ . 1]" 1
170 1 22 HIS HA 1 30 THR H 2.900 . 4.000 3.839 3.578 4.157 0.157 8 0 "[ . 1]" 1
171 1 22 HIS QB 1 29 TYR QD 2.900 . 4.000 2.616 2.388 2.807 . 0 0 "[ . 1]" 1
172 1 22 HIS QB 1 29 TYR QE 2.600 . 3.500 2.804 2.690 2.858 . 0 0 "[ . 1]" 1
173 1 22 HIS HD2 1 23 ILE H 2.900 . 4.000 2.410 1.948 2.880 . 0 0 "[ . 1]" 1
174 1 22 HIS HD2 1 24 GLU HA 2.900 . 4.000 3.845 3.744 3.985 . 0 0 "[ . 1]" 1
175 1 22 HIS HD2 1 29 TYR HA 2.900 . 4.000 3.942 3.729 4.081 0.081 2 0 "[ . 1]" 1
176 1 22 HIS HE1 1 24 GLU HA 2.900 . 4.000 3.969 3.674 4.152 0.152 9 0 "[ . 1]" 1
177 1 22 HIS HE1 1 24 GLU QG 2.900 . 4.000 3.506 3.120 3.623 . 0 0 "[ . 1]" 1
178 1 22 HIS HE1 1 27 ASP HA 2.900 . 4.000 4.075 4.027 4.185 0.185 3 0 "[ . 1]" 1
179 1 22 HIS HE1 1 29 TYR QE 2.900 . 4.000 3.273 3.142 3.556 . 0 0 "[ . 1]" 1
180 1 23 ILE H 1 23 ILE HA 2.100 . 2.700 2.917 2.880 2.956 0.256 5 0 "[ . 1]" 1
181 1 23 ILE H 1 23 ILE HB 2.600 . 3.500 2.835 2.655 3.046 . 0 0 "[ . 1]" 1
182 1 23 ILE H 1 23 ILE QG 2.900 . 4.000 2.148 1.891 2.414 . 0 0 "[ . 1]" 1
183 1 23 ILE H 1 23 ILE MG 2.900 . 4.500 3.755 3.696 3.788 . 0 0 "[ . 1]" 1
184 1 23 ILE HA 1 24 GLU H 2.100 . 2.500 2.153 2.121 2.199 . 0 0 "[ . 1]" 1
185 1 23 ILE HB 1 24 GLU H 2.900 . 4.000 4.132 4.052 4.234 0.234 4 0 "[ . 1]" 1
186 1 23 ILE MD 1 30 THR MG 2.900 . 5.000 2.912 2.387 3.392 . 0 0 "[ . 1]" 1
187 1 23 ILE MG 1 24 GLU H 2.600 . 4.000 3.069 2.714 3.374 . 0 0 "[ . 1]" 1
188 1 24 GLU H 1 24 GLU QB 2.600 . 3.500 2.074 2.045 2.134 . 0 0 "[ . 1]" 1
189 1 24 GLU H 1 24 GLU QG 2.900 . 4.000 3.303 2.914 3.601 . 0 0 "[ . 1]" 1
190 1 24 GLU HA 1 27 ASP H 2.900 . 4.000 3.333 3.133 3.863 . 0 0 "[ . 1]" 1
191 1 24 GLU HA 1 27 ASP HA 2.900 . 4.000 2.995 2.546 3.775 . 0 0 "[ . 1]" 1
192 1 25 SER H 1 25 SER HA 2.100 . 2.700 2.680 2.343 2.800 0.100 7 0 "[ . 1]" 1
193 1 25 SER H 1 25 SER QB 2.600 . 3.500 2.669 2.222 3.091 . 0 0 "[ . 1]" 1
194 1 25 SER H 1 26 LEU H 2.600 . 3.500 3.377 3.199 3.661 0.161 1 0 "[ . 1]" 1
195 1 26 LEU H 1 26 LEU HA 2.100 . 2.700 2.861 2.827 2.880 0.180 5 0 "[ . 1]" 1
196 1 26 LEU H 1 26 LEU QB 2.900 . 4.000 2.289 1.993 2.610 . 0 0 "[ . 1]" 1
197 1 26 LEU H 1 26 LEU QD 2.600 . 4.000 2.492 1.854 2.974 . 0 0 "[ . 1]" 1
198 1 26 LEU H 1 26 LEU HG 2.900 . 4.000 3.104 1.872 4.237 0.237 3 0 "[ . 1]" 1
199 1 26 LEU H 1 27 ASP H 2.600 . 3.500 2.499 2.369 2.649 . 0 0 "[ . 1]" 1
200 1 26 LEU HA 1 27 ASP H 2.900 . 4.000 3.296 3.188 3.437 . 0 0 "[ . 1]" 1
201 1 26 LEU QB 1 27 ASP H 2.900 . 4.000 3.223 2.857 3.418 . 0 0 "[ . 1]" 1
202 1 27 ASP H 1 27 ASP HA 2.100 . 2.500 2.351 2.333 2.363 . 0 0 "[ . 1]" 1
203 1 27 ASP H 1 27 ASP QB 2.900 . 4.000 3.125 2.931 3.434 . 0 0 "[ . 1]" 1
204 1 27 ASP HA 1 28 SER H 2.600 . 3.500 3.131 2.908 3.287 . 0 0 "[ . 1]" 1
205 1 28 SER H 1 28 SER HA 2.100 . 2.700 2.888 2.879 2.906 0.206 1 0 "[ . 1]" 1
206 1 28 SER H 1 28 SER QB 2.900 . 4.000 2.282 2.103 2.567 . 0 0 "[ . 1]" 1
207 1 28 SER HA 1 29 TYR H 2.600 . 3.500 2.767 2.620 2.887 . 0 0 "[ . 1]" 1
208 1 28 SER HA 1 29 TYR QD 2.900 . 4.000 3.338 3.216 3.476 . 0 0 "[ . 1]" 1
209 1 28 SER HA 1 29 TYR QE 2.900 . 4.000 3.640 3.587 3.694 . 0 0 "[ . 1]" 1
210 1 28 SER QB 1 29 TYR H 2.900 . 4.000 2.232 1.793 2.891 0.007 4 0 "[ . 1]" 1
211 1 29 TYR H 1 29 TYR HA 2.400 . 3.000 2.952 2.940 2.961 . 0 0 "[ . 1]" 1
212 1 29 TYR H 1 29 TYR QB 2.900 . 4.000 2.785 2.754 2.817 . 0 0 "[ . 1]" 1
213 1 29 TYR H 1 29 TYR QD 2.900 . 4.000 3.425 3.318 3.508 . 0 0 "[ . 1]" 1
214 1 29 TYR HA 1 30 THR H 2.400 . 3.000 2.265 2.184 2.375 . 0 0 "[ . 1]" 1
215 1 29 TYR QB 1 30 THR H 2.900 . 4.000 2.749 2.532 2.931 . 0 0 "[ . 1]" 1
216 1 29 TYR QD 1 30 THR H 2.900 . 4.000 3.654 3.606 3.751 . 0 0 "[ . 1]" 1
217 1 30 THR H 1 30 THR HA 2.400 . 3.000 2.904 2.871 2.946 . 0 0 "[ . 1]" 1
218 1 30 THR H 1 30 THR MG 2.900 . 4.500 2.391 2.254 2.549 . 0 0 "[ . 1]" 1
219 1 30 THR H 1 31 CYS H 2.900 . 4.000 4.231 4.176 4.310 0.310 9 0 "[ . 1]" 1
220 1 30 THR HA 1 31 CYS H 2.400 . 3.000 2.389 2.095 3.009 0.009 2 0 "[ . 1]" 1
221 1 30 THR HB 1 31 CYS H 2.900 . 4.000 3.687 2.547 4.063 0.063 8 0 "[ . 1]" 1
222 1 30 THR MG 1 31 CYS H 2.900 . 4.500 3.318 2.176 3.791 . 0 0 "[ . 1]" 1
223 1 31 CYS H 1 31 CYS HA 2.400 . 3.000 2.943 2.908 2.988 . 0 0 "[ . 1]" 1
224 1 31 CYS H 1 31 CYS QB 2.900 . 4.000 2.377 2.023 2.718 . 0 0 "[ . 1]" 1
225 1 31 CYS HA 1 32 ASN H 2.400 . 3.000 2.261 2.082 2.501 . 0 0 "[ . 1]" 1
226 1 31 CYS QB 1 32 ASN H 2.900 . 4.000 2.995 2.328 3.606 . 0 0 "[ . 1]" 1
227 1 32 ASN H 1 32 ASN HA 2.600 . 3.500 2.977 2.953 2.998 . 0 0 "[ . 1]" 1
228 1 32 ASN H 1 32 ASN QB 2.900 . 4.000 2.517 2.306 2.734 . 0 0 "[ . 1]" 1
229 1 32 ASN HA 1 33 CYS H 2.400 . 3.000 2.209 2.142 2.317 . 0 0 "[ . 1]" 1
230 1 33 CYS H 1 33 CYS QB 2.900 . 4.000 2.722 2.664 2.809 . 0 0 "[ . 1]" 1
231 1 33 CYS HA 1 34 VAL H 2.900 . 4.000 3.000 2.854 3.108 . 0 0 "[ . 1]" 1
232 1 33 CYS QB 1 34 VAL H 2.900 . 4.000 1.909 1.821 2.010 . 0 0 "[ . 1]" 1
233 1 33 CYS QB 1 37 TYR HA 2.900 . 4.000 3.814 3.766 3.852 . 0 0 "[ . 1]" 1
234 1 33 CYS QB 1 37 TYR QB 2.900 . 4.000 2.030 1.989 2.125 . 0 0 "[ . 1]" 1
235 1 33 CYS SG 1 42 CYS SG 2.020 . 2.120 2.020 2.016 2.024 . 0 0 "[ . 1]" 1
236 1 34 VAL H 1 34 VAL HA 2.400 . 3.000 2.906 2.889 2.969 . 0 0 "[ . 1]" 1
237 1 34 VAL H 1 34 VAL HB 2.600 . 3.500 3.500 2.923 3.650 0.150 3 0 "[ . 1]" 1
238 1 34 VAL H 1 34 VAL QG 2.600 . 4.000 2.551 2.477 2.701 . 0 0 "[ . 1]" 1
239 1 34 VAL H 1 37 TYR O 1.800 . 2.300 2.447 2.358 2.517 0.217 9 0 "[ . 1]" 1
240 1 34 VAL HA 1 35 ILE H 2.100 . 2.500 2.685 2.620 2.716 0.216 1 0 "[ . 1]" 1
241 1 34 VAL HB 1 35 ILE H 2.900 . 4.000 2.120 1.935 3.061 . 0 0 "[ . 1]" 1
242 1 34 VAL HB 1 37 TYR QD 2.600 . 3.500 2.302 2.184 2.725 . 0 0 "[ . 1]" 1
243 1 34 VAL HB 1 37 TYR QE 2.900 . 4.000 3.457 3.321 3.654 . 0 0 "[ . 1]" 1
244 1 34 VAL QG 1 35 ILE H 2.600 . 4.000 1.876 1.600 2.044 0.200 2 0 "[ . 1]" 1
245 1 34 VAL QG 1 37 TYR QD 2.600 . 4.000 2.075 2.027 2.115 . 0 0 "[ . 1]" 1
246 1 34 VAL QG 1 37 TYR QE 2.600 . 4.000 2.712 2.661 2.743 . 0 0 "[ . 1]" 1
247 1 34 VAL N 1 37 TYR O 2.800 2.300 3.300 3.346 3.246 3.448 0.148 9 0 "[ . 1]" 1
248 1 34 VAL O 1 37 TYR H 1.800 . 2.300 2.225 2.139 2.384 0.084 2 0 "[ . 1]" 1
249 1 34 VAL O 1 37 TYR N 2.800 2.300 3.300 3.087 3.038 3.153 . 0 0 "[ . 1]" 1
250 1 35 ILE H 1 35 ILE HA 2.400 . 3.000 2.846 2.826 2.860 . 0 0 "[ . 1]" 1
251 1 35 ILE H 1 35 ILE QG 2.900 . 4.000 3.839 3.764 3.881 . 0 0 "[ . 1]" 1
252 1 35 ILE H 1 35 ILE MG 2.600 . 4.000 1.810 1.675 2.171 0.125 6 0 "[ . 1]" 1
253 1 35 ILE HA 1 36 GLY H 2.100 . 2.500 2.651 2.557 2.835 0.335 2 0 "[ . 1]" 1
254 1 35 ILE HA 1 37 TYR H 2.900 . 4.000 3.990 3.875 4.200 0.200 2 0 "[ . 1]" 1
255 1 35 ILE QG 1 49 TRP H 2.900 . 4.000 3.623 3.415 3.694 . 0 0 "[ . 1]" 1
256 1 35 ILE MG 1 36 GLY H 2.900 . 4.500 3.736 3.520 3.807 . 0 0 "[ . 1]" 1
257 1 35 ILE MG 1 49 TRP HZ2 2.900 . 5.000 4.431 4.326 4.532 . 0 0 "[ . 1]" 1
258 1 36 GLY H 1 36 GLY QA 2.400 . 3.000 2.503 2.479 2.542 . 0 0 "[ . 1]" 1
259 1 36 GLY H 1 37 TYR QB 2.900 . 4.000 3.555 3.425 3.624 . 0 0 "[ . 1]" 1
260 1 36 GLY QA 1 37 TYR H 2.900 . 4.000 2.741 2.679 2.794 . 0 0 "[ . 1]" 1
261 1 36 GLY QA 1 50 TRP H 2.900 . 4.000 3.843 3.676 4.006 0.006 2 0 "[ . 1]" 1
262 1 37 TYR H 1 37 TYR HA 2.100 . 2.700 2.918 2.904 2.936 0.236 2 0 "[ . 1]" 1
263 1 37 TYR H 1 37 TYR QB 2.900 . 4.000 2.694 2.456 2.771 . 0 0 "[ . 1]" 1
264 1 37 TYR H 1 37 TYR QD 2.900 . 4.000 3.353 2.930 3.547 . 0 0 "[ . 1]" 1
265 1 37 TYR HA 1 38 SER H 2.400 . 3.000 2.153 2.096 2.190 . 0 0 "[ . 1]" 1
266 1 37 TYR HA 1 42 CYS QB 2.900 . 4.000 3.824 3.699 3.996 . 0 0 "[ . 1]" 1
267 1 37 TYR HA 1 45 ARG HA 2.400 . 3.000 2.960 2.736 3.095 0.095 9 0 "[ . 1]" 1
268 1 37 TYR HA 1 46 ASP H 2.900 . 4.000 3.882 3.272 4.184 0.184 1 0 "[ . 1]" 1
269 1 37 TYR QB 1 38 SER H 2.900 . 4.000 3.461 3.395 3.544 . 0 0 "[ . 1]" 1
270 1 37 TYR QD 1 45 ARG HA 2.600 . 3.500 2.455 2.242 2.646 . 0 0 "[ . 1]" 1
271 1 37 TYR QD 1 45 ARG QB 2.900 . 4.000 3.046 2.880 3.271 . 0 0 "[ . 1]" 1
272 1 37 TYR QD 1 45 ARG QD 2.900 . 4.000 3.451 3.368 3.494 . 0 0 "[ . 1]" 1
273 1 37 TYR QD 1 45 ARG QG 2.900 . 4.000 3.134 2.990 3.196 . 0 0 "[ . 1]" 1
274 1 37 TYR QD 1 49 TRP QB 2.900 . 4.000 3.488 3.358 3.829 . 0 0 "[ . 1]" 1
275 1 37 TYR QE 1 45 ARG HA 2.600 . 3.500 3.505 3.364 3.583 0.083 1 0 "[ . 1]" 1
276 1 37 TYR QE 1 45 ARG QB 2.900 . 4.000 3.236 3.165 3.324 . 0 0 "[ . 1]" 1
277 1 37 TYR QE 1 45 ARG QD 2.900 . 4.000 2.103 2.009 2.174 . 0 0 "[ . 1]" 1
278 1 37 TYR QE 1 45 ARG QG 2.400 . 3.000 2.347 2.289 2.479 . 0 0 "[ . 1]" 1
279 1 37 TYR QE 1 49 TRP QB 2.900 . 4.000 3.321 3.200 3.488 . 0 0 "[ . 1]" 1
280 1 37 TYR QE 1 49 TRP HZ2 2.600 . 3.500 3.589 3.420 3.673 0.173 7 0 "[ . 1]" 1
281 1 38 SER H 1 38 SER HA 2.900 . 4.000 2.924 2.891 2.949 . 0 0 "[ . 1]" 1
282 1 38 SER H 1 44 THR H 2.900 . 4.000 2.864 2.566 3.156 . 0 0 "[ . 1]" 1
283 1 38 SER H 1 44 THR O 1.800 . 2.300 2.338 2.170 2.446 0.146 9 0 "[ . 1]" 1
284 1 38 SER HA 1 42 CYS HA 2.900 . 4.000 2.789 2.601 3.058 . 0 0 "[ . 1]" 1
285 1 38 SER QB 1 39 GLY H 2.600 . 3.500 1.972 1.769 2.173 0.031 4 0 "[ . 1]" 1
286 1 38 SER N 1 44 THR O 2.800 2.300 3.300 3.188 3.078 3.271 . 0 0 "[ . 1]" 1
287 1 38 SER O 1 44 THR H 1.800 . 2.300 2.049 1.698 2.362 0.062 3 0 "[ . 1]" 1
288 1 38 SER O 1 44 THR N 2.800 2.300 3.300 2.875 2.627 3.113 . 0 0 "[ . 1]" 1
289 1 39 GLY H 1 39 GLY QA 2.600 . 3.500 2.315 2.279 2.351 . 0 0 "[ . 1]" 1
290 1 39 GLY QA 1 40 ASP H 2.600 . 3.500 2.228 2.162 2.283 . 0 0 "[ . 1]" 1
291 1 40 ASP H 1 40 ASP HA 2.600 . 3.500 2.814 2.778 2.876 . 0 0 "[ . 1]" 1
292 1 40 ASP H 1 40 ASP QB 2.400 . 3.000 2.377 2.245 2.539 . 0 0 "[ . 1]" 1
293 1 40 ASP H 1 41 ARG H 2.900 . 4.000 3.668 3.471 3.894 . 0 0 "[ . 1]" 1
294 1 40 ASP H 1 43 GLN QE 2.900 . 4.000 2.647 1.577 3.576 0.223 9 0 "[ . 1]" 1
295 1 40 ASP QB 1 42 CYS H 2.900 . 4.000 3.636 3.424 3.715 . 0 0 "[ . 1]" 1
296 1 41 ARG H 1 41 ARG HA 2.900 . 4.000 2.907 2.845 2.966 . 0 0 "[ . 1]" 1
297 1 41 ARG H 1 41 ARG QB 2.900 . 4.000 2.648 2.100 2.945 . 0 0 "[ . 1]" 1
298 1 41 ARG H 1 41 ARG QG 2.900 . 4.000 2.379 1.697 3.828 0.103 7 0 "[ . 1]" 1
299 1 41 ARG H 1 42 CYS H 2.900 . 4.000 2.615 2.356 2.805 . 0 0 "[ . 1]" 1
300 1 41 ARG H 1 43 GLN H 2.900 . 4.000 3.408 2.968 4.031 0.031 9 0 "[ . 1]" 1
301 1 41 ARG H 1 43 GLN QE 2.900 . 4.000 3.184 2.355 3.575 . 0 0 "[ . 1]" 1
302 1 41 ARG QG 1 42 CYS H 2.900 . 4.000 2.797 2.369 3.170 . 0 0 "[ . 1]" 1
303 1 42 CYS H 1 42 CYS HA 2.100 . 2.700 2.839 2.811 2.854 0.154 8 0 "[ . 1]" 1
304 1 42 CYS H 1 43 GLN H 2.900 . 4.000 1.923 1.703 2.775 0.097 4 0 "[ . 1]" 1
305 1 42 CYS HA 1 43 GLN H 2.900 . 4.000 2.825 2.341 3.012 . 0 0 "[ . 1]" 1
306 1 42 CYS QB 1 43 GLN H 2.900 . 4.000 3.712 3.658 3.762 . 0 0 "[ . 1]" 1
307 1 43 GLN H 1 43 GLN HA 2.900 . 4.000 2.889 2.859 2.998 . 0 0 "[ . 1]" 1
308 1 43 GLN H 1 43 GLN QB 2.900 . 4.000 2.596 2.244 2.968 . 0 0 "[ . 1]" 1
309 1 43 GLN H 1 43 GLN QG 2.900 . 4.000 2.045 1.626 2.729 0.174 2 0 "[ . 1]" 1
310 1 43 GLN H 1 44 THR H 2.900 . 4.000 2.686 2.000 3.254 . 0 0 "[ . 1]" 1
311 1 44 THR H 1 44 THR HA 2.100 . 2.700 2.904 2.863 2.949 0.249 7 0 "[ . 1]" 1
312 1 44 THR H 1 44 THR HB 2.600 . 3.500 2.810 2.551 3.286 . 0 0 "[ . 1]" 1
313 1 44 THR H 1 44 THR MG 2.900 . 4.500 3.738 3.423 3.858 . 0 0 "[ . 1]" 1
314 1 44 THR HA 1 45 ARG H 2.100 . 2.500 2.240 2.160 2.353 . 0 0 "[ . 1]" 1
315 1 44 THR MG 1 45 ARG H 2.900 . 4.500 3.528 3.205 3.727 . 0 0 "[ . 1]" 1
316 1 45 ARG H 1 45 ARG HA 2.400 . 3.000 2.953 2.903 2.983 . 0 0 "[ . 1]" 1
317 1 45 ARG H 1 45 ARG QB 2.600 . 3.500 2.196 2.118 2.225 . 0 0 "[ . 1]" 1
318 1 45 ARG H 1 45 ARG QG 2.900 . 4.000 3.867 3.796 3.921 . 0 0 "[ . 1]" 1
319 1 45 ARG HA 1 46 ASP H 2.400 . 3.000 2.367 2.280 2.415 . 0 0 "[ . 1]" 1
320 1 45 ARG HA 1 50 TRP HE1 2.900 . 4.500 3.513 2.997 4.080 . 0 0 "[ . 1]" 1
321 1 45 ARG QG 1 46 ASP H 2.900 . 4.000 3.635 3.539 3.720 . 0 0 "[ . 1]" 1
322 1 45 ARG QG 1 50 TRP HD1 2.900 . 4.000 3.570 3.351 3.758 . 0 0 "[ . 1]" 1
323 1 46 ASP H 1 46 ASP HA 2.400 . 3.000 2.947 2.761 3.015 0.015 1 0 "[ . 1]" 1
324 1 46 ASP H 1 46 ASP QB 2.600 . 3.500 2.319 2.162 2.644 . 0 0 "[ . 1]" 1
325 1 46 ASP HA 1 47 LEU H 2.400 . 3.000 2.439 2.241 2.681 . 0 0 "[ . 1]" 1
326 1 46 ASP QB 1 47 LEU H 2.900 . 4.000 2.543 1.787 2.961 0.013 6 0 "[ . 1]" 1
327 1 47 LEU H 1 47 LEU QB 2.600 . 3.500 2.554 2.240 2.871 . 0 0 "[ . 1]" 1
328 1 47 LEU H 1 47 LEU QD 2.900 . 4.500 2.369 1.776 3.055 0.024 8 0 "[ . 1]" 1
329 1 47 LEU H 1 47 LEU HG 2.100 . 2.500 2.185 1.810 2.544 0.044 3 0 "[ . 1]" 1
330 1 47 LEU HA 1 50 TRP HZ3 2.900 . 4.000 3.403 2.466 4.473 0.473 6 0 "[ . 1]" 1
331 1 48 ARG H 1 48 ARG HA 2.100 . 2.500 2.846 2.706 2.917 0.417 6 0 "[ . 1]" 1
332 1 48 ARG H 1 48 ARG QB 2.600 . 3.500 3.260 3.161 3.446 . 0 0 "[ . 1]" 1
333 1 48 ARG H 1 48 ARG QG 2.600 . 3.500 2.306 1.907 2.604 . 0 0 "[ . 1]" 1
334 1 48 ARG H 1 49 TRP H 2.600 . 3.500 2.955 2.768 3.239 . 0 0 "[ . 1]" 1
335 1 48 ARG HA 1 49 TRP H 2.400 . 3.000 3.426 3.359 3.475 0.475 3 0 "[ . 1]" 1
336 1 48 ARG QB 1 49 TRP H 2.900 . 4.000 1.945 1.699 2.585 0.101 4 0 "[ . 1]" 1
337 1 48 ARG QG 1 50 TRP HZ2 2.900 . 4.000 3.996 3.474 4.117 0.117 5 0 "[ . 1]" 1
338 1 49 TRP H 1 49 TRP HA 2.100 . 2.500 2.657 2.595 2.701 0.201 10 0 "[ . 1]" 1
339 1 49 TRP H 1 49 TRP QB 2.400 . 3.000 2.306 2.155 2.455 . 0 0 "[ . 1]" 1
340 1 49 TRP H 1 50 TRP H 2.900 . 4.000 3.498 3.221 4.166 0.166 6 0 "[ . 1]" 1
341 1 49 TRP HA 1 50 TRP H 2.400 . 3.000 3.340 3.170 3.437 0.437 3 0 "[ . 1]" 1
342 1 49 TRP QB 1 50 TRP H 2.900 . 4.000 1.856 1.692 2.031 0.108 10 0 "[ . 1]" 1
343 1 49 TRP HE1 1 50 TRP HD1 2.900 . 4.000 3.982 3.594 4.221 0.221 6 0 "[ . 1]" 1
344 1 49 TRP HE3 1 50 TRP HA 2.900 . 4.000 4.312 3.413 4.670 0.670 10 4 "[ ** - +]" 1
345 1 50 TRP H 1 51 GLU H 2.900 . 4.000 3.805 2.801 4.348 0.348 7 0 "[ . 1]" 1
346 1 50 TRP HA 1 51 GLU H 2.600 . 3.500 2.545 2.049 3.557 0.057 9 0 "[ . 1]" 1
347 1 50 TRP QB 1 51 GLU H 2.900 . 4.000 3.288 2.229 3.739 . 0 0 "[ . 1]" 1
348 1 51 GLU H 1 51 GLU HA 2.100 . 2.500 2.638 2.335 2.896 0.396 10 0 "[ . 1]" 1
349 1 51 GLU H 1 51 GLU QB 2.600 . 3.500 2.762 2.334 3.460 . 0 0 "[ . 1]" 1
350 1 51 GLU H 1 51 GLU QG 2.900 . 4.000 2.928 2.201 3.640 . 0 0 "[ . 1]" 1
351 1 52 LEU H 1 52 LEU HA 2.100 . 2.500 2.500 2.327 2.815 0.315 9 0 "[ . 1]" 1
352 1 52 LEU H 1 52 LEU QD 2.900 . 4.500 2.624 1.967 3.346 . 0 0 "[ . 1]" 1
353 1 52 LEU QB 1 53 ARG H 2.900 . 4.000 2.893 2.016 3.634 . 0 0 "[ . 1]" 1
354 1 53 ARG H 1 53 ARG HA 2.100 . 2.500 2.456 2.326 2.711 0.211 4 0 "[ . 1]" 1
355 1 53 ARG H 1 53 ARG QG 2.900 . 4.000 2.553 1.723 3.006 0.077 3 0 "[ . 1]" 1
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